CID 3059945

77502-38-6

Structural Information

Molecular Formula
C28H26N4O2
SMILES
C1=CC=C(C=C1)CC(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)CC4=CC=CC=C4
InChI
InChI=1S/C28H26N4O2/c33-25(19-21-7-3-1-4-8-21)31-27(23-11-15-29-16-12-23)28(24-13-17-30-18-14-24)32-26(34)20-22-9-5-2-6-10-22/h1-18,27-28H,19-20H2,(H,31,33)(H,32,34)
InChIKey
XNZZKHHOFOCSPV-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2-[(2-phenylacetyl)amino]-1,2-dipyridin-4-ylethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.20557 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21285 207.6
[M+Na]+ 473.19479 207.4
[M-H]- 449.19829 215.4
[M+NH4]+ 468.23939 210.3
[M+K]+ 489.16873 201.2
[M+H-H2O]+ 433.20283 193.9
[M+HCOO]- 495.20377 225.3
[M+CH3COO]- 509.21942 213.0
[M+Na-2H]- 471.18024 210.7
[M]+ 450.20502 204.1
[M]- 450.20612 204.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.